CWT

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Summary

Name:(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one
Synonyms:Leucettine L4
Formula:C15 H17 N3 O3
Formal charge:0
Molecular weight:287.314 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)-3,5-dihydro-4H-imidazol-4-one
OpenEye OEToolkits1.9.2(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-(propan-2-ylamino)imidazol-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1N(C(=N/C1=C\c2ccc3OCOc3c2)NC(C)C)C
InChIInChI1.03InChI=1S/C15H17N3O3/c1-9(2)16-15-17-11(14(19)18(15)3)6-10-4-5-12-13(7-10)21-8-20-12/h4-7,9H,8H2,1-3H3,(H,16,17)/b11-6-
InChIKeyInChI1.03ILLXEUXWCCUOCH-WDZFZDKYSA-N
SMILES_CANONICALCACTVS3.385CC(C)NC1=N\C(=C/c2ccc3OCOc3c2)C(=O)N1C
SMILESCACTVS3.385CC(C)NC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(C)NC1=N/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1C
SMILESOpenEye OEToolkits1.9.2CC(C)NC1=NC(=Cc2ccc3c(c2)OCO3)C(=O)N1C